⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20177582 | 0.86 | TAAR1 (0.39) | — | |
| SCHEMBL19559545 | 0.68 | FPR2 (0.33) | — | |
| SCHEMBL20177540 | 0.67 | PDE4A (0.37) | — | |
| SCHEMBL19559483 | 0.62 | FPR1 (0.40) | — | |
| SCHEMBL20177609 | 0.62 | FPR2 (0.31) | — | |
| SCHEMBL20041817 | 0.59 | GCK (0.35) | — | |
| SCHEMBL18117745 | 0.59 | GCK (0.35) | — | |
| SCHEMBL9530078 | 0.59 | SLC6A2 (0.38) | — | |
| SCHEMBL19559531 | 0.56 | HCRTR1 (0.38) | — | |
| SCHEMBL20041964 | 0.56 | HCRTR1 (0.38) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018092916-A1 | NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE | 宇部興産株式会社 | 2018-05-24 | — | — | WO | disclosed |